N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride

C9H17ClN2O — CID 130636827

IUPACN-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C=C1CCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7(6-10)11-9(12)5-8-3-2-4-8;/h5,7H,2-4,6,10H2,1H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyDSHCKYMZUNOXJY-FJXQXJEOSA-N
MW204.70 g/mol
LogP0.98
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride (PubChem CID 130636827) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride
PubChem CID130636827
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C=C1CCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7(6-10)11-9(12)5-8-3-2-4-8;/h5,7H,2-4,6,10H2,1H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyDSHCKYMZUNOXJY-FJXQXJEOSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide
CID 130723814
N-(2-aminopropyl)-2-cyclopentylideneacetamide
CID 130735447
N-[(2R)-1-aminopropan-2-yl]-3-methylbut-2-enamide
CID 104873136
N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide
CID 131248313
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 130609703
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
N-[(2R)-1-aminopropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 104872897
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride (CID 130636827) is N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride is C[C@@H](CN)NC(=O)C=C1CCC1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride?
The InChIKey is DSHCKYMZUNOXJY-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-7(6-10)11-9(12)5-8-3-2-4-8;/h5,7H,2-4,6,10H2,1H3,(H,11,12);1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-cyclobutylideneacetamide;hydrochloride is sourced from PubChem (CID 130636827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).